N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide

C15H18BrNO2 — CID 82254675

IUPACN-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide
SMILESCCCC(Br)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H18BrNO2/c1-2-3-13(16)14(18)10-6-8-12(9-7-10)17-15(19)11-4-5-11/h6-9,11,13H,2-5H2,1H3,(H,17,19)
InChIKeyVBTBAVFMHUSQDC-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.78
Rot. Bonds6

About N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide

N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide (PubChem CID 82254675) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide
PubChem CID82254675
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide
SMILESCCCC(Br)C(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C15H18BrNO2/c1-2-3-13(16)14(18)10-6-8-12(9-7-10)17-15(19)11-4-5-11/h6-9,11,13H,2-5H2,1H3,(H,17,19)
InChIKeyVBTBAVFMHUSQDC-UHFFFAOYSA-N
XLogP3.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-bromopentanoyl)phenyl]-2-ethylbutanamide
CID 82258839
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
4-butyl-N-[4-(2-chloropropanoyl)phenyl]cyclohexane-1-carboxamide
CID 82259069
4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
CID 63946276
N-[4-(2-bromo-3-methylbutyl)phenyl]-4-butylcyclohexane-1-carboxamide
CID 82259475
N-[4-(2-bromobutanoyl)phenyl]propanamide
CID 82136336
N-[4-(2-bromo-2-methylpropanoyl)phenyl]cyclohexanecarboxamide
CID 82258980
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[4-[(2R)-2-bromobutanoyl]phenyl]acetamide
CID 95380737

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide (CID 82254675) is N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide is CCCC(Br)C(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide?
The InChIKey is VBTBAVFMHUSQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-2-3-13(16)14(18)10-6-8-12(9-7-10)17-15(19)11-4-5-11/h6-9,11,13H,2-5H2,1H3,(H,17,19).
What are the key properties of N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide?
N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide has a molecular weight of 324.22 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromopentanoyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82254675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).